6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one

C182H181B2Br4ClN22O26S5 — CID 163953380

IUPAC6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one
SMILESC=CCn1cc(-c2ccc3cc(-c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4)ccc3n2)c2cc[nH]c2c1=O.C=CCn1cc(-c2ccc3cc(-c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4)ccc3n2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C=CCn1cc(-c2ccc3cc(Br)ccc3n2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C=CCn1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C=CCn1cc(Br)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Br)c[nH]c(=O)c32)cc1.Clc1ccc2cc(Br)ccc2n1
InChIInChI=1S/C40H39N5O5S.C33H33N5O3.C26H20BrN3O3S.C23H27BN2O5S.C20H31BN2O4.C17H15BrN2O3S.C14H11BrN2O3S.C9H5BrClN/c1-5-19-44-26-35(34-18-20-45(38(34)40(44)47)51(48,49)33-14-6-27(2)7-15-33)37-17-11-31-25-30(10-16-36(31)41-37)29-8-12-32(13-9-29)50-24-23-43-22-21-42(4)39(46)28(43)3;1-4-15-38-21-28(27-13-14-34-31(27)33(38)40)30-12-8-25-20-24(7-11-29(25)35-30)23-5-9-26(10-6-23)41-19-18-37-17-16-36(3)32(39)22(37)2;1-3-13-29-16-22(24-10-6-18-15-19(27)7-11-23(18)28-24)21-12-14-30(25(21)26(29)31)34(32,33)20-8-4-17(2)5-9-20;1-7-13-25-15-19(24-30-22(3,4)23(5,6)31-24)18-12-14-26(20(18)21(25)27)32(28,29)17-10-8-16(2)9-11-17;1-15-18(24)22(6)11-12-23(15)13-14-25-17-9-7-16(8-10-17)21-26-19(2,3)20(4,5)27-21;1-3-9-19-11-15(18)14-8-10-20(16(14)17(19)21)24(22,23)13-6-4-12(2)5-7-13;1-9-2-4-10(5-3-9)21(19,20)17-7-6-11-12(15)8-16-14(18)13(11)17;10-7-2-3-8-6(5-7)1-4-9(11)12-8/h5-18,20,25-26,28H,1,19,21-24H2,2-4H3;4-14,20-22,34H,1,15-19H2,2-3H3;3-12,14-16H,1,13H2,2H3;7-12,14-15H,1,13H2,2-6H3;7-10,15H,11-14H2,1-6H3;3-8,10-11H,1,9H2,2H3;2-8H,1H3,(H,16,18);1-5H/t28-;22-;;;15-;;;/m11..1.../s1
InChIKeySBGVXUBXTLICDC-GWHKGPMUSA-N
MW3629.61 g/mol
LogP30.35
Rot. Bonds39

About 6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one

6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one (PubChem CID 163953380) has the molecular formula C182H181B2Br4ClN22O26S5 and a molecular weight of 3629.61 g/mol. Its IUPAC name is 6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one
PubChem CID163953380
Molecular FormulaC182H181B2Br4ClN22O26S5
Molecular Weight3629.61 g/mol
Exact Mass3622.87
IUPAC Name6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one
SMILESC=CCn1cc(-c2ccc3cc(-c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4)ccc3n2)c2cc[nH]c2c1=O.C=CCn1cc(-c2ccc3cc(-c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4)ccc3n2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C=CCn1cc(-c2ccc3cc(Br)ccc3n2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C=CCn1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C=CCn1cc(Br)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Br)c[nH]c(=O)c32)cc1.Clc1ccc2cc(Br)ccc2n1
InChIInChI=1S/C40H39N5O5S.C33H33N5O3.C26H20BrN3O3S.C23H27BN2O5S.C20H31BN2O4.C17H15BrN2O3S.C14H11BrN2O3S.C9H5BrClN/c1-5-19-44-26-35(34-18-20-45(38(34)40(44)47)51(48,49)33-14-6-27(2)7-15-33)37-17-11-31-25-30(10-16-36(31)41-37)29-8-12-32(13-9-29)50-24-23-43-22-21-42(4)39(46)28(43)3;1-4-15-38-21-28(27-13-14-34-31(27)33(38)40)30-12-8-25-20-24(7-11-29(25)35-30)23-5-9-26(10-6-23)41-19-18-37-17-16-36(3)32(39)22(37)2;1-3-13-29-16-22(24-10-6-18-15-19(27)7-11-23(18)28-24)21-12-14-30(25(21)26(29)31)34(32,33)20-8-4-17(2)5-9-20;1-7-13-25-15-19(24-30-22(3,4)23(5,6)31-24)18-12-14-26(20(18)21(25)27)32(28,29)17-10-8-16(2)9-11-17;1-15-18(24)22(6)11-12-23(15)13-14-25-17-9-7-16(8-10-17)21-26-19(2,3)20(4,5)27-21;1-3-9-19-11-15(18)14-8-10-20(16(14)17(19)21)24(22,23)13-6-4-12(2)5-7-13;1-9-2-4-10(5-3-9)21(19,20)17-7-6-11-12(15)8-16-14(18)13(11)17;10-7-2-3-8-6(5-7)1-4-9(11)12-8/h5-18,20,25-26,28H,1,19,21-24H2,2-4H3;4-14,20-22,34H,1,15-19H2,2-3H3;3-12,14-16H,1,13H2,2H3;7-12,14-15H,1,13H2,2-6H3;7-10,15H,11-14H2,1-6H3;3-8,10-11H,1,9H2,2H3;2-8H,1H3,(H,16,18);1-5H/t28-;22-;;;15-;;;/m11..1.../s1
InChIKeySBGVXUBXTLICDC-GWHKGPMUSA-N
XLogP30.35
TPSA540.82 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds39
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003629.61
LogP ≤ 530.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one (CID 163953380) is 6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one is C=CCn1cc(-c2ccc3cc(-c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4)ccc3n2)c2cc[nH]c2c1=O.C=CCn1cc(-c2ccc3cc(-c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4)ccc3n2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C=CCn1cc(-c2ccc3cc(Br)ccc3n2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C=CCn1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C=CCn1cc(Br)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Br)c[nH]c(=O)c32)cc1.Clc1ccc2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is SBGVXUBXTLICDC-GWHKGPMUSA-N. The full InChI is InChI=1S/C40H39N5O5S.C33H33N5O3.C26H20BrN3O3S.C23H27BN2O5S.C20H31BN2O4.C17H15BrN2O3S.C14H11BrN2O3S.C9H5BrClN/c1-5-19-44-26-35(34-18-20-45(38(34)40(44)47)51(48,49)33-14-6-27(2)7-15-33)37-17-11-31-25-30(10-16-36(31)41-37)29-8-12-32(13-9-29)50-24-23-43-22-21-42(4)39(46)28(43)3;1-4-15-38-21-28(27-13-14-34-31(27)33(38)40)30-12-8-25-20-24(7-11-29(25)35-30)23-5-9-26(10-6-23)41-19-18-37-17-16-36(3)32(39)22(37)2;1-3-13-29-16-22(24-10-6-18-15-19(27)7-11-23(18)28-24)21-12-14-30(25(21)26(29)31)34(32,33)20-8-4-17(2)5-9-20;1-7-13-25-15-19(24-30-22(3,4)23(5,6)31-24)18-12-14-26(20(18)21(25)27)32(28,29)17-10-8-16(2)9-11-17;1-15-18(24)22(6)11-12-23(15)13-14-25-17-9-7-16(8-10-17)21-26-19(2,3)20(4,5)27-21;1-3-9-19-11-15(18)14-8-10-20(16(14)17(19)21)24(22,23)13-6-4-12(2)5-7-13;1-9-2-4-10(5-3-9)21(19,20)17-7-6-11-12(15)8-16-14(18)13(11)17;10-7-2-3-8-6(5-7)1-4-9(11)12-8/h5-18,20,25-26,28H,1,19,21-24H2,2-4H3;4-14,20-22,34H,1,15-19H2,2-3H3;3-12,14-16H,1,13H2,2H3;7-12,14-15H,1,13H2,2-6H3;7-10,15H,11-14H2,1-6H3;3-8,10-11H,1,9H2,2H3;2-8H,1H3,(H,16,18);1-5H/t28-;22-;;;15-;;;/m11..1.../s1.
What are the key properties of 6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one?
6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 3629.61 g/mol, XLogP of 30.35, 39 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloroquinoline;4-bromo-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one;4-(6-bromoquinolin-2-yl)-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-1-(4-methylphenyl)sulfonyl-6-prop-2-enylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-2-yl]-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridin-7-one;(3R)-1,3-dimethyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazin-2-one;1-(4-methylphenyl)sulfonyl-6-prop-2-enyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 163953380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).